Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate | CAS No. 79794-75-5

Q: Is Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate (CAS: 79794-75-5) safe?

Safety data for Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate (CAS: 79794-75-5) is limited. However, as a chlorinated organic compound, it may pose mild toxicity risks. Handle with gloves, goggles, and in a well-ventilated area. Avoid skin and eye contact. Adhere to standard chemical safety protocols and consult safety data sheets for precise guidelines. Always follow OSHA and EPA regulations for safe usage.

Q: How should Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate (CAS: 79794-75-5) be stored?

Store Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate (CAS: 79794-75-5) in a cool, dry, and dark place, ideally below 25°C. Keep it in a sealed, airtight container to prevent moisture ingress and degradation. Avoid exposure to heat or direct light. Ensure proper labeling and store away from incompatible substances. Maintain stability by following recommended storage conditions for chemical safety and longevity.

Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate

Basic Information

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CAS Number

79794-75-5

Molecular Formula

C22H23ClN2O2

Molecular Weight

382.89 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Powder

Melting Point

135.0 to 139.0 deg-C

Boiling Point

531.3°C at 760 mmHg

Density

1.261

Water Solubility

It is soluble in DMSO (50 mg/ml), ethanol (77 mg/ml at 25°C), water (<1 mg/ml at 25°C), chloroform, and methanol.

Flash Point

275.1±30.1 °C

Solubility

DMSO: 26 mg/mL, soluble

SMILES

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CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

InChI

InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3

InChIKey

JCCNYMKQOSZNPW-UHFFFAOYSA-N

LogP

4.887800000000005

Topological Polar Surface Area

42.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

569

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Stability

Stable, but may be heat sensitive - refrigerate. Incompatible with strong oxidizing agents.

Synonyms & References

English

Loratadine
LORATADINE-D5
LORATIDINE
CLARATYNE
CLARITIN
ethyl 4-(8-chloro-5,6-dihydro-11h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate
4(8-CHLORO-5,6-DIHYDRO-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YLIDENE)-1-PIPERIDINECARBOXYLATE
4-(8-CHLORO-5,6-DIHYDRO-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YLIDENE)-1-PIPERIDINECARBOXYLIC ACID ETHYL ESTER
1-Piperidinecarboxylic acid, 4- (8-chloro-5,6-dihydro-11H- benzo[5,6]cyclohepta[1,2-b] pyridin-11-ylidene)-, ethyl ester
Civeran
Claritine
Clarityn
Lisino
Loranox
SCH 29851
SCH-29851
Tadine
4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester
4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene-1-piperi
Alavert
Loracert
Clarityne
Loradex
Lertamine
Histaloran
Lorastine
Bonalerg
Loratyne
Fristamin
Versal
Polaratyne

MDL Number

MFCD00672869

Customs Code

2933990090

FAQ

What is Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate (CAS: 79794-75-5)?

Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate (CAS: 79794-75-5) is a complex organic compound with a molecular formula of C22H26ClNO3. It features a piperidinecarboxylate group linked to a benzo[cyclohepta]pyridine ring bearing an 8-chloro substitution. This compound is notable for its structural complexity and potential applications in pharmaceutical research. Its physical properties include solubility in organic solvents and stability under controlled conditions.

What are the main uses of Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate (CAS: 79794-75-5)?

Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate (CAS: 79794-75-5) is primarily used in pharmaceutical research as a potential drug candidate or synthetic intermediate. Its unique structure may contribute to biological activity, making it relevant for developing treatments targeting neurological or metabolic disorders. It also serves in medicinal chemistry for compound modification and in structural studies of complex molecules.

Is Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate (CAS: 79794-75-5) safe?

Safety data for Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate (CAS: 79794-75-5) is limited. However, as a chlorinated organic compound, it may pose mild toxicity risks. Handle with gloves, goggles, and in a well-ventilated area. Avoid skin and eye contact. Adhere to standard chemical safety protocols and consult safety data sheets for precise guidelines. Always follow OSHA and EPA regulations for safe usage.

How should Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate (CAS: 79794-75-5) be stored?

Store Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate (CAS: 79794-75-5) in a cool, dry, and dark place, ideally below 25°C. Keep it in a sealed, airtight container to prevent moisture ingress and degradation. Avoid exposure to heat or direct light. Ensure proper labeling and store away from incompatible substances. Maintain stability by following recommended storage conditions for chemical safety and longevity.